Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8193144 | 0.84 | ADRA2C (0.69) | SIGMAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL8195434 | 0.84 | ADRA2C (0.69) | SIGMAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL172347 | 0.83 | CYP1A2 (0.49) | SIGMAR1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL15130899 | 0.82 | SIGMAR1 (0.64) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL7022052 | 0.82 | SIGMAR1 (0.64) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL8908751 | 0.81 | CASR (0.61) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL13804038 | 0.81 | CASR (0.61) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6SLC6A2 | |
| Hydrochloric Acid SCHEMBL15572364 | 0.81 | SIGMAR1 (0.62) | SIGMAR1SMN1; SMN2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL15131194 | 0.79 | CASR (0.71) | SIGMAR1SLC6A2 | |
| SCHEMBL6081573 | 0.79 | CASR (0.71) | SIGMAR1SLC6A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0507863-A4 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | — | 1993-07-07 | — | — | EP | claimed |
| EP-0507863-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1992-10-14 | — | — | EP | claimed |